merge devel in to master #161
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new class AWS
…d thermodyanmic conditions
AWS support restrat
run/report
build surface by using ASE interface
bugfix for crd2frag
add an example
AWS Devel bug fixed & add auto gen basic param.json
support openbabel >=3.0
add smtp handler for logging
Fixed the undefined argument of VASP and refined the workflow of auto test
Converge database interface and provide examples.
add time analyze and iteration infomation log tool
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